5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one

C26H24FN3O3 — CID 53167392

IUPAC5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one
SMILESCc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H24FN3O3/c1-18-23(25(31)29-15-13-28(14-16-29)20-8-3-2-4-9-20)24-22(33-18)11-12-30(26(24)32)17-19-7-5-6-10-21(19)27/h2-12H,13-17H2,1H3
InChIKeyXCJURTOTOFPALK-UHFFFAOYSA-N
MW445.49 g/mol
LogP4.05
Rot. Bonds4

About 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one

5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one (PubChem CID 53167392) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one.

Molecular Properties

Compound Name5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one
PubChem CID53167392
Molecular FormulaC26H24FN3O3
Molecular Weight445.49 g/mol
Exact Mass445.18
IUPAC Name5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one
SMILESCc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C26H24FN3O3/c1-18-23(25(31)29-15-13-28(14-16-29)20-8-3-2-4-9-20)24-22(33-18)11-12-30(26(24)32)17-19-7-5-6-10-21(19)27/h2-12H,13-17H2,1H3
InChIKeyXCJURTOTOFPALK-UHFFFAOYSA-N
XLogP4.05
TPSA58.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.49
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one?
The IUPAC name of 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one (CID 53167392) is 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one.
What is the SMILES notation for 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one?
The canonical SMILES for 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one is Cc1oc2ccn(Cc3ccccc3F)c(=O)c2c1C(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one?
The InChIKey is XCJURTOTOFPALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-18-23(25(31)29-15-13-28(14-16-29)20-8-3-2-4-9-20)24-22(33-18)11-12-30(26(24)32)17-19-7-5-6-10-21(19)27/h2-12H,13-17H2,1H3.
What are the key properties of 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one?
5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one has a molecular weight of 445.49 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-fluorophenyl)methyl]-2-methyl-3-(4-phenylpiperazine-1-carbonyl)furo[3,2-c]pyridin-4-one is sourced from PubChem (CID 53167392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).